butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium
Formula:C23H26NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium is a drug-like molecule.
| MolName | butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium |
| MolecularFormula | C23H26NO5 |
| Smiles | CCCC[NH+](C)Cc(c(O/C1=C\c(cc2)ccc2C(OC)=O)c(cc2)C1=O)c2O |
| InChI | InChI=1S/C23H25NO5/c1-4-5-12-24(2)14-18-19(25)11-10-17-21(26)20(29-22(17)18)13-15-6-8-16(9-7-15)23(27)28-3/h6-11,13,25H,4-5,12,14H2,1-3H3/p+1 |
| InChIK | SCZJENVKFXDNPT-UHFFFAOYSA-O |
| TotalMolweight | 396.461 |
| Molweight | 396.461 |
| MonoisotopicMass | 396.181099 |
| CLogP | 2.4576 |
| CLogS | -4.341 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 322.24 |
| Relative PSA | 0.23824 |
| PolarSurfaceArea | 77.27 |
| Druglikeness | -4.3713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium | 2 - butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium
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